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EC number: 293-927-7
CAS number: 91648-65-6
QSAR_HENRYWIN v3.20_Henry´s Law constant_Bond Method: 2.98E-2 Pa*m³/mol, Group Method: Incomplete result
The Henry´s Law constant of
1,3,4-Thiadiazolidine-2,5-dithione, reaction products with hydrogen
peroxide and tert-nonanethiol was determined by the computer program
HENRYWIN v3.20 (EPIWIN software) by US-EPA (Chemservice S.A., 2013). Henry´s
law states that the solubility of a gas in a liquid solution at a
constant temperature will be proportional to the partial pressure of the
gas which is above the solution (Henry, 1803). Sometimes, the term
“air/water partition coefficient” refers to the dimensionless Henry´s
law constant (HLC) and therefore describes the ration of the equilibrium
concentration of a dissolved substance in air and water. HENRYWIN
estimates two separate HLC values (one using the group method and one
using the bond method). The bond contribution methodology splits a
compound into smaller units (one atom to another atom only). The bond
method includes individual hydrogen bond values; the group method does
the Bond Method of the computer program HENRYWIN from US-EPA a Henry´s
Law Constant of 2.98 E-2 Pa*m³/mol was
calculated at 25 °C. The
Group Method showed an “incomplete Result”.
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